2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid

C11H15N3O2 — CID 83917721

IUPAC2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid
SMILESCCCN1Cc2cnc(CC(=O)O)nc2C1
InChIInChI=1S/C11H15N3O2/c1-2-3-14-6-8-5-12-10(4-11(15)16)13-9(8)7-14/h5H,2-4,6-7H2,1H3,(H,15,16)
InChIKeySZBGVOCFCOHXRA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.83
Rot. Bonds4

About 2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid

2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid (PubChem CID 83917721) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid
PubChem CID83917721
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid
SMILESCCCN1Cc2cnc(CC(=O)O)nc2C1
InChIInChI=1S/C11H15N3O2/c1-2-3-14-6-8-5-12-10(4-11(15)16)13-9(8)7-14/h5H,2-4,6-7H2,1H3,(H,15,16)
InChIKeySZBGVOCFCOHXRA-UHFFFAOYSA-N
XLogP0.83
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-2-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745332
2,2-dimethyl-1-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propan-1-one
CID 71805746
tert-butyl 2-chloro-5H,6H,7H-pyrrolo(3,4-d)pyrimidine-6-carboxylate
CID 66570699
N-[3-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-1-methyl-3-oxopropyl]acetamide
CID 56741666
5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2-carboxylic acid dihydrochloride
CID 122163623
Tert-butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate
CID 52988153
6-Ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 70938174
2-Trifluoromethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine trifluoroacetate
CID 86607007
6-Methyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 89729894
2,2,2-Trifluoro-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 134443019
1-(2-Ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone
CID 153277586
2-(Trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
CID 153800067

Frequently Asked Questions

What is the IUPAC name of 2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid (CID 83917721) is 2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid is CCCN1Cc2cnc(CC(=O)O)nc2C1.
What is the InChIKey of 2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid?
The InChIKey is SZBGVOCFCOHXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-3-14-6-8-5-12-10(4-11(15)16)13-9(8)7-14/h5H,2-4,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid?
2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 83917721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).